N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide

C16H19F3N2O3S — CID 4580391

IUPACN-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C16H19F3N2O3S/c1-11(22)20-14(15(23)21-5-7-24-8-6-21)10-25-13-4-2-3-12(9-13)16(17,18)19/h2-4,9,14H,5-8,10H2,1H3,(H,20,22)
InChIKeyAKAMHYYZDDXRJD-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.16
Rot. Bonds5

About N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide

N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide (PubChem CID 4580391) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide
PubChem CID4580391
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)N1CCOCC1
InChIInChI=1S/C16H19F3N2O3S/c1-11(22)20-14(15(23)21-5-7-24-8-6-21)10-25-13-4-2-3-12(9-13)16(17,18)19/h2-4,9,14H,5-8,10H2,1H3,(H,20,22)
InChIKeyAKAMHYYZDDXRJD-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 2219795
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
2-[3-(Trifluoromethyl)phenyl]sulfanylmorpholin-3-one
CID 10826366
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
CID 17473623
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 4802479
Boc-Ala-Cys(Ph(4-CF3))-OMe
CID 146165370
2-(2-methylphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 8195283
3-Methyl-4-(4-(p-tolylthio)butanoyl)piperazin-2-one
CID 44116505
1-(4,4-Difluoropiperidin-1-yl)-2-[[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]amino]ethanone
CID 51041349
1-Morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone
CID 51041587
4-(4-(3-(Trifluoromethyl)phenylsulfonyl)cyclohexyl)piperazin-2-one
CID 67054752
2-(Cyclohexylamino)-1-(4-(3-(trifluoromethyl)phenyl sulfonyl)piperidin-1-yl)ethanone
CID 68314397

Frequently Asked Questions

What is the IUPAC name of N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide (CID 4580391) is N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide is CC(=O)NC(CSc1cccc(C(F)(F)F)c1)C(=O)N1CCOCC1.
What is the InChIKey of N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide?
The InChIKey is AKAMHYYZDDXRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-11(22)20-14(15(23)21-5-7-24-8-6-21)10-25-13-4-2-3-12(9-13)16(17,18)19/h2-4,9,14H,5-8,10H2,1H3,(H,20,22).
What are the key properties of N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide?
N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide has a molecular weight of 376.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-morpholin-4-yl-1-oxo-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 4580391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).